6-(4-acetylphenyl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Chemical Structure Depiction of
6-(4-acetylphenyl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
6-(4-acetylphenyl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | 8017-6603 |
| Compound Name: | 6-(4-acetylphenyl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C24 H19 N3 O6 |
| Smiles: | CC(c1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(c2ccc(cc2)[N+]([O-])=O)=NO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3885 |
| logD: | 2.3885 |
| logSw: | -2.5077 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.473 |
| InChI Key: | CSHCMAAIBIKRNH-UHFFFAOYSA-N |